Compound Detail
CHEMBL2086600
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Basic Information
| ChEMBL ID | CHEMBL2086600 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOSRJUBBAYKINA-ZDUSSCGKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
371.4
MW (Da)
1.69
ALogP
3
HBA
2
HBD
92.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.72 | 7.72 | 19.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 19.0 | nM | 7.72 | Inhibition of human DPP4 expressed in baculovirus expression system using Gly-Pr... | 22503246 |
| Dipeptidyl peptidase 4 | IC50 | = | 19.0 | nM | 7.72 | Inhibition of DPP-4 (unknown origin) | 34428715 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22503246 | 10.1016/j.bmcl.2012.03.078 | Dipeptidyl peptidase 4 | 1 |
| 34428715 | 10.1016/j.bmc.2021.116354 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine